1-cyclohexylpyrazole-3-sulfonyl chloride;ethane

C11H19ClN2O2S — CID 145139550

IUPAC1-cyclohexylpyrazole-3-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN2O2S.C2H6/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8;1-2/h6-8H,1-5H2;1-2H3
InChIKeyQQUYCDOVNYKMEA-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.34
Rot. Bonds2

About 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane

1-cyclohexylpyrazole-3-sulfonyl chloride;ethane (PubChem CID 145139550) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane.

Molecular Properties

Compound Name1-cyclohexylpyrazole-3-sulfonyl chloride;ethane
PubChem CID145139550
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.81 g/mol
Exact Mass278.09
IUPAC Name1-cyclohexylpyrazole-3-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN2O2S.C2H6/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8;1-2/h6-8H,1-5H2;1-2H3
InChIKeyQQUYCDOVNYKMEA-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane?
The IUPAC name of 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane (CID 145139550) is 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane.
What is the SMILES notation for 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane?
The canonical SMILES for 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane is CC.O=S(=O)(Cl)c1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane?
The InChIKey is QQUYCDOVNYKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S.C2H6/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8;1-2/h6-8H,1-5H2;1-2H3.
What are the key properties of 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane?
1-cyclohexylpyrazole-3-sulfonyl chloride;ethane has a molecular weight of 278.81 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrazole-3-sulfonyl chloride;ethane is sourced from PubChem (CID 145139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).